Ionic Charges and Hydrogen Bonding in Polymer Systems

这项工作的目的是通过将长程电荷-电荷相互作用 (Henderson, 1983) 的贡献添加到考虑短程分子-分子相互作用的扰动各向异性链理论 (PACT) (Vimalchand, 1985, 1986) 中，提出一种新的电解质溶液模型。 由于原始模型中使用的介电常数仅适用于由离子附近的电荷-分子相互作用引起的溶剂化效应，因此导出了离子与溶液主体中的分子（即未溶剂化的分子）相互作用的附加项，并将其包含在理论中。 电解质溶液，尤其是电解质水溶液，在环境、生物体和工业过程中很常见。 它们的热力学特性在众多行业的分离、发酵和纯化过程中发挥着重要作用。 因此，在过去十年中，人们对预测电解质溶液热力学性质的兴趣不断增长。

The purpose of this work is to present a new model for electrolyte solutions by adding contributions for long-range charge-charge interactions (Henderson, 1983) to Perturbed-Anisotropic-Chain theory (PACT) (Vimalchand, 1985, 1986) which takes short-range molecule- molecule interactions into account. Since dielectric constants used in the primitive model are only for solvation effects caused by charge-molecule interactions near ions, additional terms for the interactions of ions with molecules in the bulk of the solution (i.e. those not solvated) are derived and included in the theory as well. Electrolyte Solutions, especially aqueous electrolyte solutions, are common in the environment, living organisms, and industrial processes. Their thermodynamic properties play an important role in separation, fermentation and purification processes in numerous industries. Therefore, interest in the prediction of thermodynamic properties of electrolyte solutions has grown over the past decade.